SCHEMBL3433693

SCHEMBL3433693

CCC(O)CNCCCOc1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 18/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SCN2A Q99250 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1195269 0.95 SCN8A (0.49) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL15346447 0.86 KDM4E (0.50) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL15346294 0.85 LMNA (0.58) SCN8AKDM4EALDH1A1
SCHEMBL1195323 0.80 KDM4E (0.62) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL1194750 0.80 KDM4E (0.62) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL1195765 0.80 KDM4E (0.62) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL15346418 0.80 ALDH1A1 (0.64) SCN8AKDM4EALDH1A1
SCHEMBL3433691 0.78 KDM4E (0.60) SCN8AKDM4EALDH1A1SCN2A
SCHEMBL15346302 0.75 ALDH1A1 (0.58) SCN8AKDM4EALDH1A1
SCHEMBL15346309 0.75 ALDH1A1 (0.58) SCN8AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 US claimed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 US claimed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 US claimed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE SCN8A 7/4885KDM4E 2309/4885ALDH1A1 461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.